Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | SGMS2 | Q8NHU3 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.31 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 3/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9714774 | 0.84 | CYP3A4 (0.36) | CYP3A4TDP1TSHRTRPA1 | |
| SCHEMBL9714754 | 0.84 | KDM4E (0.32) | CYP3A4TDP1ALDH1A1KDM4ELMNA | |
| SCHEMBL9714816 | 0.81 | SLC6A2 (0.34) | CYP3A4TDP1TSHRSLC6A2TAAR1 | |
| SCHEMBL9714646 | 0.78 | MEN1 (0.35) | CYP3A4TDP1KDM4ETSHRMEN1 | |
| SCHEMBL9714823 | 0.78 | MAOA (0.35) | MAOASLC6A4MAOB | |
| SCHEMBL9714665 | 0.76 | SGMS2 (0.39) | CYP3A4TDP1ALDH1A1KDM4ELMNA | |
| SCHEMBL9714785 | 0.76 | CTSB (0.35) | CYP3A4TDP1TSHRCTSB | |
| SCHEMBL9714810 | 0.75 | ENPP2 (0.42) | CYP3A4TDP1KDM4ELMNATSHR | |
| SCHEMBL9714736 | 0.75 | MAOA (0.42) | CYP3A4TDP1ALDH1A1LMNATSHR | |
| SCHEMBL9714680 | 0.75 | MAOB (0.32) | MAOB |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5166210-A | QUINOLINE DERIVATIVES AS ANTAGONISTS OF LEUKOTRIENE D4 | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1992-11-24 | — | — | US | disclosed |
| US-5028615-A | Treatment of hypersensitivity | RHONE-POULENC RORER PHARMACEUTICALS INC. (US) | 1991-07-02 | — | — | US | disclosed |
| US-4920133-A | Quinoline derivatives and use thereof as antagonists of leukotriene D4 | RORER PHARMACEUTICAL CORP. (US) | 1990-04-24 | — | — | US | disclosed |